4-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-butanamide

Systemtic Name: 4-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-butanamide Openeye Name: 4-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethyl-butanamide CAS Name: 4-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N,N-diethylbutanamide IUPAC Name: 4-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylbutanamide Traditional Name: 4-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-N,N-diethyl-butyramide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCCSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

Isomeric SMILES

CCN(CC)C(=O)CCCSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

InChI

InChI=1S/C21H27N5OS/c1-3-25(4-2)19(27)10-7-13-28-21-24-23-20(26(21)15-11-12-15)17-14-22-18-9-6-5-8-16(17)18/h5-6,8-9,14-15,23H,3-4,7,10-13H2,1-2H3