[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-(1-ethyl-5-benzotriazolyl)methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(1-ethylbenzotriazol-5-yl)methanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazino]-(1-ethylbenzotriazol-5-yl)methanone Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC5=CC=CC=C54)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC5=CC=CC=C54)N=N1

InChI

InChI=1S/C22H23N5OS/c1-2-27-20-8-7-16(13-19(20)23-24-27)22(28)26-11-9-25(10-12-26)14-17-15-29-21-6-4-3-5-18(17)21/h3-8,13,15H,2,9-12,14H2,1H3