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

Systemtic Name: N-[4-[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide CAS Name: N-[4-[2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]acetyl]phenyl]butyramide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C25H25N5O2S/c1-2-5-23(32)27-17-10-8-16(9-11-17)22(31)15-33-25-29-28-24(30(25)18-12-13-18)20-14-26-21-7-4-3-6-19(20)21/h3-4,6-11,14,18,28H,2,5,12-13,15H2,1H3,(H,27,32)