1-(3-chlorophenyl)-N-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanimine

Systemtic Name: 1-(3-chlorophenyl)-N-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanimine Openeye Name: 1-(3-chlorophenyl)-N-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanimine CAS Name: 1-(3-chlorophenyl)-N-[3-(prop-2-ynylthio)-1,2,4-triazol-4-yl]methanimine IUPAC Name: 1-(3-chlorophenyl)-N-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)methanimine Traditional Name: (E)-(3-chlorobenzylidene)-[3-(propargylthio)-1,2,4-triazol-4-yl]amine Formula: C12H9ClN4S MolecularWeight: 276.74466

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NN=CN1N=CC2=CC(=CC=C2)Cl

Isomeric SMILES

C#CCSC1=NN=CN1/N=C/C2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H9ClN4S/c1-2-6-18-12-16-14-9-17(12)15-8-10-4-3-5-11(13)7-10/h1,3-5,7-9H,6H2/b15-8+