N-(3-methylphenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(m-tolyl)acetamide CAS Name: N-(3-methylphenyl)-2-[[4-prop-2-enyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]-N-(m-tolyl)acetamide Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=NC=CN=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=NC=CN=C3

InChI

InChI=1S/C18H18N6OS/c1-3-9-24-17(15-11-19-7-8-20-15)22-23-18(24)26-12-16(25)21-14-6-4-5-13(2)10-14/h3-8,10-11H,1,9,12H2,2H3,(H,21,25)