4-(3-methylphenyl)-3-prop-2-ynylsulfanyl-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 4-(3-methylphenyl)-3-prop-2-ynylsulfanyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-(m-tolyl)-3-prop-2-ynylsulfanyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(3-methylphenyl)-3-(prop-2-ynylthio)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-(3-methylphenyl)-3-prop-2-ynylsulfanyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-(m-tolyl)-3-(propargylthio)-5-(2-thienyl)-1,2,4-triazole Formula: C16H13N3S2 MolecularWeight: 311.42452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC#C)C3=CC=CS3

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC#C)C3=CC=CS3

InChI

InChI=1S/C16H13N3S2/c1-3-9-21-16-18-17-15(14-8-5-10-20-14)19(16)13-7-4-6-12(2)11-13/h1,4-8,10-11H,9H2,2H3