1-[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: N-isopropyl-1-[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethyl]triazole-4-carboxamide CAS Name: 1-[2-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]ethyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: N-isopropyl-1-[2-[4-[4-(methylthio)benzyl]piperazino]ethyl]triazole-4-carboxamide Formula: C20H30N6OS MolecularWeight: 402.5568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)CCN2CCN(CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)CCN2CCN(CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H30N6OS/c1-16(2)21-20(27)19-15-26(23-22-19)13-12-24-8-10-25(11-9-24)14-17-4-6-18(28-3)7-5-17/h4-7,15-16H,8-14H2,1-3H3,(H,21,27)