4-[(Z)-[4-(azepan-1-yl)phenyl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(Z)-[4-(azepan-1-yl)phenyl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(Z)-[4-(azepan-1-yl)phenyl]methyleneamino]-3-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(Z)-[4-(1-azepanyl)phenyl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(Z)-[4-(azepan-1-yl)phenyl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(Z)-[4-(azepan-1-yl)benzylidene]amino]-3-methyl-1H-1,2,4-triazole-5-thione Formula: C16H21N5S MolecularWeight: 315.43644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1N=CC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=NNC(=S)N1/N=C\C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C16H21N5S/c1-13-18-19-16(22)21(13)17-12-14-6-8-15(9-7-14)20-10-4-2-3-5-11-20/h6-9,12H,2-5,10-11H2,1H3,(H,19,22)/b17-12-