2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-ethanamide Openeye Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-acetamide CAS Name: 2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide IUPAC Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide Traditional Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-acetamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NNC(=C4C=NC5=CC=CC=C54)N3C6CC6

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NNC(=C4C=NC5=CC=CC=C54)N3C6CC6

InChI

InChI=1S/C25H25N5O3S/c1-29(14-16-6-9-21-22(12-16)33-11-10-32-21)23(31)15-34-25-28-27-24(30(25)17-7-8-17)19-13-26-20-5-3-2-4-18(19)20/h2-6,9,12-13,17,27H,7-8,10-11,14-15H2,1H3