5-[(E)-4-(4-chlorophenyl)sulfanyl-4-phenyl-but-2-enyl]-6-methyl-1,2,4-triazin-3-amine

Systemtic Name: 5-[(E)-4-(4-chlorophenyl)sulfanyl-4-phenyl-but-2-enyl]-6-methyl-1,2,4-triazin-3-amine Openeye Name: 5-[(E)-4-(4-chlorophenyl)sulfanyl-4-phenyl-but-2-enyl]-6-methyl-1,2,4-triazin-3-amine CAS Name: 5-[(E)-4-[(4-chlorophenyl)thio]-4-phenylbut-2-enyl]-6-methyl-1,2,4-triazin-3-amine IUPAC Name: 5-[(E)-4-(4-chlorophenyl)sulfanyl-4-phenylbut-2-enyl]-6-methyl-1,2,4-triazin-3-amine Traditional Name: [5-[(E)-4-[(4-chlorophenyl)thio]-4-phenyl-but-2-enyl]-6-methyl-1,2,4-triazin-3-yl]amine Formula: C20H19ClN4S MolecularWeight: 382.90966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=N1)N)CC=CC(C2=CC=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(N=C(N=N1)N)C/C=C/C(C2=CC=CC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN4S/c1-14-18(23-20(22)25-24-14)8-5-9-19(15-6-3-2-4-7-15)26-17-12-10-16(21)11-13-17/h2-7,9-13,19H,8H2,1H3,(H2,22,23,25)/b9-5+