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

Systemtic Name: 1-[2-[4-(1-benzothiophen-2-ylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-[4-(benzothiophen-2-ylmethyl)piperazin-1-yl]ethyl]-N-isopropyl-triazole-4-carboxamide CAS Name: 1-[2-[4-(1-benzothiophen-2-ylmethyl)-1-piperazinyl]ethyl]-N-propan-2-yl-4-triazolecarboxamide IUPAC Name: 1-[2-[4-(1-benzothiophen-2-ylmethyl)piperazin-1-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide Traditional Name: 1-[2-[4-(benzothiophen-2-ylmethyl)piperazino]ethyl]-N-isopropyl-triazole-4-carboxamide Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CN(N=N1)CCN2CCN(CC2)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

CC(C)NC(=O)C1=CN(N=N1)CCN2CCN(CC2)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H28N6OS/c1-16(2)22-21(28)19-15-27(24-23-19)12-11-25-7-9-26(10-8-25)14-18-13-17-5-3-4-6-20(17)29-18/h3-6,13,15-16H,7-12,14H2,1-2H3,(H,22,28)