N-(2-ethylphenyl)-2-[4-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[(4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(3-methyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]acetamide Traditional Name: 2-[4-[(4-allyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]-N-(2-ethylphenyl)acetamide Formula: C21H30N6OS MolecularWeight: 414.5675

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)CN3C(=S)N(C(=N3)C)CC=C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)CN3C(=S)N(C(=N3)C)CC=C

InChI

InChI=1S/C21H30N6OS/c1-4-10-26-17(3)23-27(21(26)29)16-25-13-11-24(12-14-25)15-20(28)22-19-9-7-6-8-18(19)5-2/h4,6-9H,1,5,10-16H2,2-3H3,(H,22,28)