(2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide

Systemtic Name: (2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide Openeye Name: (2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-furylmethyl)propanamide CAS Name: (2R)-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)propanamide IUPAC Name: (2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide Traditional Name: (2R)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-N-(2-furfuryl)propionamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CO1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C21H21N5O2S/c1-13(20(27)23-11-15-5-4-10-28-15)29-21-25-24-19(26(21)14-8-9-14)17-12-22-18-7-3-2-6-16(17)18/h2-7,10,12-14,24H,8-9,11H2,1H3,(H,23,27)/t13-/m1/s1